(3E,5E)-7-ethoxy-3,6-dimethylhepta-1,3,5-trien-4-amine

C11H19NO — CID 166878944

IUPAC(3E,5E)-7-ethoxy-3,6-dimethylhepta-1,3,5-trien-4-amine
SMILESC=C/C(C)=C(N)\C=C(/C)COCC
InChIInChI=1S/C11H19NO/c1-5-10(4)11(12)7-9(3)8-13-6-2/h5,7H,1,6,8,12H2,2-4H3/b9-7+,11-10+
InChIKeyYRBIOCWSYLSTJI-RJECPTDASA-N
MW181.28 g/mol
LogP2.39
Rot. Bonds5

About (3E,5E)-7-ethoxy-3,6-dimethylhepta-1,3,5-trien-4-amine

(3E,5E)-7-ethoxy-3,6-dimethylhepta-1,3,5-trien-4-amine (PubChem CID 166878944) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is (3E,5E)-7-ethoxy-3,6-dimethylhepta-1,3,5-trien-4-amine.

Molecular Properties

Compound Name(3E,5E)-7-ethoxy-3,6-dimethylhepta-1,3,5-trien-4-amine
PubChem CID166878944
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name(3E,5E)-7-ethoxy-3,6-dimethylhepta-1,3,5-trien-4-amine
SMILESC=C/C(C)=C(N)\C=C(/C)COCC
InChIInChI=1S/C11H19NO/c1-5-10(4)11(12)7-9(3)8-13-6-2/h5,7H,1,6,8,12H2,2-4H3/b9-7+,11-10+
InChIKeyYRBIOCWSYLSTJI-RJECPTDASA-N
XLogP2.39
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

ethane;(Z)-1-ethoxy-2-methylbut-2-ene
CID 145193092
(3E,5Z)-3-methylocta-1,3,5-trien-4-amine
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1,1-diethoxy-2-methylbuta-1,3-diene
CID 19609192
3-ethoxy-2-methylprop-1-ene;ethyl prop-2-enoate;formaldehyde
CID 161479464
(3E)-3-(ethoxymethyl)hexa-1,3,5-triene
CID 87413665
5-ethoxy-4-methylpent-3-en-2-ol
CID 104866902
3-methylpenta-2,4-dien-2-amine
CID 141358440
(3Z,5E)-5-ethoxy-3-methylhepta-1,3,5-triene
CID 131995054
[(1Z)-1-ethoxy-2-methylbuta-1,3-dienyl]-triethylgermane
CID 11630412
1,2-diethoxyethane;ethenamine
CID 160675526
(2Z,4E)-6-ethoxy-2-hydroxy-5-methylhexa-2,4-dienal
CID 90321322
ethoxyethane;prop-1-ene
CID 22712887

Frequently Asked Questions

What is the IUPAC name of (3E,5E)-7-ethoxy-3,6-dimethylhepta-1,3,5-trien-4-amine?
The IUPAC name of (3E,5E)-7-ethoxy-3,6-dimethylhepta-1,3,5-trien-4-amine (CID 166878944) is (3E,5E)-7-ethoxy-3,6-dimethylhepta-1,3,5-trien-4-amine.
What is the SMILES notation for (3E,5E)-7-ethoxy-3,6-dimethylhepta-1,3,5-trien-4-amine?
The canonical SMILES for (3E,5E)-7-ethoxy-3,6-dimethylhepta-1,3,5-trien-4-amine is C=C/C(C)=C(N)\C=C(/C)COCC.
What is the InChIKey of (3E,5E)-7-ethoxy-3,6-dimethylhepta-1,3,5-trien-4-amine?
The InChIKey is YRBIOCWSYLSTJI-RJECPTDASA-N. The full InChI is InChI=1S/C11H19NO/c1-5-10(4)11(12)7-9(3)8-13-6-2/h5,7H,1,6,8,12H2,2-4H3/b9-7+,11-10+.
What are the key properties of (3E,5E)-7-ethoxy-3,6-dimethylhepta-1,3,5-trien-4-amine?
(3E,5E)-7-ethoxy-3,6-dimethylhepta-1,3,5-trien-4-amine has a molecular weight of 181.28 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5E)-7-ethoxy-3,6-dimethylhepta-1,3,5-trien-4-amine is sourced from PubChem (CID 166878944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).